2-(1H-benzotriazol-1-yl)-3-(4-methoxyanilino)naphthalene-1,4-dione
Chemical Structure Depiction of
2-(1H-benzotriazol-1-yl)-3-(4-methoxyanilino)naphthalene-1,4-dione
2-(1H-benzotriazol-1-yl)-3-(4-methoxyanilino)naphthalene-1,4-dione
Compound characteristics
| Compound ID: | 8013-1663 |
| Compound Name: | 2-(1H-benzotriazol-1-yl)-3-(4-methoxyanilino)naphthalene-1,4-dione |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C23 H16 N4 O3 |
| Smiles: | COc1ccc(cc1)NC1=C(C(c2ccccc2C1=O)=O)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.7437 |
| logD: | 3.6619 |
| logSw: | -4.2508 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.588 |
| InChI Key: | PBHHQZFRBOZMHA-UHFFFAOYSA-N |